Compound Identification
SMILES
CCOC1=CC=C(NC(=O)CSC2=NC3=C(SC=C3)C(=O)N2CCCCC([O-])=O)C=C1
InChIKey
InChIKey=DDOPYKKRDVQCDA-UHFFFAOYSA-M
Formula
C21H22N3O5S2
Mass
460.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyrimidines
Alternative Parents
Anilides Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Alkylarylthioethers Pyrimidones Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid salts Lactams Carboxylic acids Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anilide - Thienopyrimidine - Phenoxy compound - Aryl thioether - Phenol ether - N-arylamide - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Carboxamide group - Carboxylic acid salt - Lactam - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available